4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid

C11H11ClN2O3 — CID 168700589

IUPAC4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
SMILESNC1CC(=O)N(c2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C11H11ClN2O3/c12-9-4-7(1-2-8(9)11(16)17)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,16,17)
InChIKeyHRHXHXWARJXGBI-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.10
Rot. Bonds2

About 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid

4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid (PubChem CID 168700589) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
PubChem CID168700589
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
SMILESNC1CC(=O)N(c2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C11H11ClN2O3/c12-9-4-7(1-2-8(9)11(16)17)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,16,17)
InChIKeyHRHXHXWARJXGBI-UHFFFAOYSA-N
XLogP1.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one
CID 69065606
2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide
CID 168687616
4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 168701054
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chloro-N-methylbenzamide
CID 168503973
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115
4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-nitrobenzoic acid
CID 168508850

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid?
The IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid (CID 168700589) is 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid.
What is the SMILES notation for 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid?
The canonical SMILES for 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid is NC1CC(=O)N(c2ccc(C(=O)O)c(Cl)c2)C1.
What is the InChIKey of 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid?
The InChIKey is HRHXHXWARJXGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-9-4-7(1-2-8(9)11(16)17)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,16,17).
What are the key properties of 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid?
4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid has a molecular weight of 254.67 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid is sourced from PubChem (CID 168700589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).